4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine

C22H25FN4O — CID 132765638

IUPAC4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine
SMILESCc1nn(C)cc1CN1CCOC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C22H25FN4O/c1-16-18(13-26(2)25-16)14-27-10-11-28-22(15-27)21-9-5-7-19(24-21)12-17-6-3-4-8-20(17)23/h3-9,13,22H,10-12,14-15H2,1-2H3
InChIKeyWURKWKYTUZJPDA-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.43
Rot. Bonds5

About 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine (PubChem CID 132765638) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine
PubChem CID132765638
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine
SMILESCc1nn(C)cc1CN1CCOC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C22H25FN4O/c1-16-18(13-26(2)25-16)14-27-10-11-28-22(15-27)21-9-5-7-19(24-21)12-17-6-3-4-8-20(17)23/h3-9,13,22H,10-12,14-15H2,1-2H3
InChIKeyWURKWKYTUZJPDA-UHFFFAOYSA-N
XLogP3.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine (CID 132765638) is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine is Cc1nn(C)cc1CN1CCOC(c2cccc(Cc3ccccc3F)n2)C1.
What is the InChIKey of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine?
The InChIKey is WURKWKYTUZJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-18(13-26(2)25-16)14-27-10-11-28-22(15-27)21-9-5-7-19(24-21)12-17-6-3-4-8-20(17)23/h3-9,13,22H,10-12,14-15H2,1-2H3.
What are the key properties of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine?
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 132765638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).